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Steroids and sterols

Malun 25

Also known as Malun-25

CAS 79682-28-3Formula C56H80ClNNa3O22S2+Molar mass 1,287.80 g/mol
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Malun 25 chemical structure, C56H80ClNNa3O22S2+, CAS 79682-28-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79682-28-3
Formula
C56H80ClNNa3O22S2+
Molar mass
1,287.80 g/mol
HS code
291631
Category
Steroids and sterols

What is Malun 25?

Plain description, key identifiers and synonyms

Malun 25 is a chemical substance with the molecular formula C56H80ClNNa3O22S2+ and a molar mass of 1,287.80 g/mol. Its CAS registry number is 79682-28-3. The IUPAC name is trisodium, 4-(chlorosulfamoyl)benzoate, dodecyl sulfate, [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate, (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trisodium, 4-(chlorosulfamoyl)benzoate, dodecyl sulfate, [(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate, (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CAS number
79682-28-3
Molecular formula
C56H80ClNNa3O22S2+
InChIKey
VTCQNIIPDFYPMZ-NYUBMDMSSA-L
InChI
InChI=1S/C25H28O3.C12H22O11.C12H26O4S.C7H6ClNO4S.3Na/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-9-14(12,13)6-3-1-5(2-4-6)7(10)11;;;/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;1,4-12,14-21H,2-3H2;2-12H2,1H3,(H,13,14,15);1-4,9H,(H,10,11);;;/q;;;;3*+1/p-2/t20?,21?,22?,23-,25-;4-,5+,6+,7+,8-,9-,10+,11+,12-;;;;;/m00...../s1
Canonical SMILES
CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O.CCCCCCCCCCCCOS(=O)(=O)[O-].O=C([O-])c1ccc(S(=O)(=O)NCl)cc1.O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.[Na+].[Na+].[Na+]
Isomeric SMILES
CCCCCCCCCCCCOS(=O)(=O)[O-].C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5.C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)NCl.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+].[Na+].[Na+]

Synonyms

  • Malun-25

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,287.80 g/molcalc.
Exact mass
1,286.399 Dacalc.
LogP (octanol/water)
-6.55calc.
Topological polar surface area
396.6 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
25calc.
Heavy atoms
85calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.63calc.
Formal charge
1calc.
Stereocentres
14calc.
Components
7calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Oc1ccc2c(c1)CCC1C2CCC2CCCC21)c1ccccc1

O=C(Oc1ccc2c(c1)CCC1C2CCC2CCCC21)c1ccccc1

5 rings, 26 atoms.

18 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Malun 25 suppliers

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Malun 25 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Malun 25 is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Malun 25 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Malun 25, based on the data on this page

What is Malun 25?

Malun 25 is a chemical substance with the molecular formula C56H80ClNNa3O22S2+ and a molar mass of 1,287.80 g/mol. Its CAS registry number is 79682-28-3.

What is the CAS number of Malun 25?

The CAS registry number of Malun 25 is 79682-28-3.

What is the molecular formula and weight of Malun 25?

The molecular formula of Malun 25 is C56H80ClNNa3O22S2+ and its molar mass is 1,287.80 g/mol.

Is Malun 25 hazardous?

No GHS hazard classification for Malun 25 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Malun 25?

Malun 25 is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Malun 25?

Post a free request on CompoundList and suppliers of Malun 25 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Malun 25?

Suppliers quote Malun 25 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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